| Identification | More | [Name]
Isovaleraldehyde | [CAS]
590-86-3 | [Synonyms]
3-METHYLBUTANAL
3-METHYLBUTYRALDEHYDE
FEMA 2692
ISOAMYLALDEHYDE
ISOPENTALDEHYDE
ISO-PENTANAL
ISOVALERALDEHYDE
ISOVALERIC ALDEHYDE
1-Butanal, 3-methyl-
2-Methylbutanal-4
3-methyl-1-butana
3-Methyl-1-butanal
3-Methylbutan-1-al
3-methyl-butana
3-Methylbutyraldehyd
3-methyl-butyraldehyd
aldehydeisovalerianique
beta-Methylbutanal
butanal,3-hydroxy-2,2-dimethyl-
butanal,3-methyl | [EINECS(EC#)]
209-691-5 | [Molecular Formula]
C5H10O | [MDL Number]
MFCD00007014 | [Molecular Weight]
86.13 | [MOL File]
590-86-3.mol |
| Chemical Properties | Back Directory | [Appearance]
colourless liquid with a strong and (for some | [Melting point ]
-60 °C
| [Boiling point ]
90 °C (lit.) | [density ]
0.803 g/mL at 25 °C(lit.)
| [vapor density ]
2.96 (vs air)
| [vapor pressure ]
30 mm Hg ( 20 °C)
| [FEMA ]
2692 | [refractive index ]
n20/D 1.388(lit.)
| [Fp ]
29 °F
| [storage temp. ]
Refrigerator (+4°C) + Flammables area | [solubility ]
alcohol: miscible | [form ]
Liquid | [color ]
Clear colorless to light yellow | [Specific Gravity]
0.80 | [Odor]
at 0.10 % in dipropylene glycol. ethereal aldehydic chocolate peach fatty | [Stability:]
Stable, but light and air sensitive. Highly flammable. Readily forms explosive mixtures with air. Incompatible with strong oxidizing agents, bases, reducing agents, air. | [biological source]
synthetic | [explosive limit]
1.7-6.8%(V) | [Odor Threshold]
0.0001ppm | [Odor Type]
aldehydic | [Water Solubility ]
15 g/L (20 ºC) | [JECFA Number]
258 | [Merck ]
14,5229 | [BRN ]
773692 | [Henry's Law Constant]
1.1×10-2 mol/(m3Pa) at 25℃, Bruneel et al. (2016) | [Cosmetics Ingredients Functions]
PERFUMING
FRAGRANCE | [InChI]
1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3 | [InChIKey]
YGHRJJRRZDOVPD-UHFFFAOYSA-N | [SMILES]
[H]C(=O)CC(C)C | [LogP]
1.5 at 25℃ and pH7 | [CAS DataBase Reference]
590-86-3(CAS DataBase Reference) | [NIST Chemistry Reference]
Butanal, 3-methyl-(590-86-3) | [EPA Substance Registry System]
590-86-3(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
  
GHS02,GHS07,GHS09 | [Signal word ]
Danger | [Hazard statements ]
H225-H317-H319-H335-H411 | [Precautionary statements ]
P210-P273-P280-P302+P352-P305+P351+P338 | [Hazard Codes ]
F,Xi | [Risk Statements ]
R11:Highly Flammable.
R36:Irritating to the eyes.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S7:Keep container tightly closed .
S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection . | [RIDADR ]
UN 1989 3/PG 2 | [WGK Germany ]
1 | [RTECS ]
ES3450000 | [F ]
13 | [Autoignition Temperature]
464 °F | [TSCA ]
Yes | [REACH Registrations]
Active | [HazardClass ]
3 | [PackingGroup ]
II | [HS Code ]
29121900 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Aquatic Chronic 2
Eye Irrit. 2
Flam. Liq. 2
Skin Sens. 1
STOT SE 3 | [Hazardous Substances Data]
590-86-3(Hazardous Substances Data) |
| Hazard Information | Back Directory | [General Description]
Colorless liquid with a weak suffocating odor. Floats on water. Produces an irritating vapor. | [Reactivity Profile]
ISOVALERALDEHYDE(590-86-3) is an aldehyde. Aldehydes are frequently involved in self-condensation or polymerization reactions. These reactions are exothermic; they are often catalyzed by acid. Aldehydes are readily oxidized to give carboxylic acids. Flammable and/or toxic gases are generated by the combination of aldehydes with azo, diazo compounds, dithiocarbamates, nitrides, and strong reducing agents. Aldehydes can react with air to give first peroxo acids, and ultimately carboxylic acids. These autoxidation reactions are activated by light, catalyzed by salts of transition metals, and are autocatalytic (catalyzed by the products of the reaction). The addition of stabilizers (antioxidants) to shipments of aldehydes retards autoxidation. | [Air & Water Reactions]
Highly flammable. | [Health Hazard]
Inhalation causes chest discomfort, nausea, vomiting, and headache. Contact of liquid with eyes or skin causes irritation. Ingestion causes irritation of mouth and stomach. | [Description]
May be prepared by oxidation of isoamyl alcohol. | [Chemical Properties]
3-Methylbutyraldehyde has a choking, powerful, acrid, pungent, apple-like odor. This compound is also reported to
have a fruity, fatty, animal, almond odor. | [Chemical Properties]
Isovaleraldehyde(590-86-3) is a colorless, low-solubility liquid with a pungent odor similar to that of apples. | [Occurrence]
Reported found in over 180 natural sources including apple, banana, berries, grapes, peach, papaya,
peach, kohlrabi, carrot, celery, leek, peas, potato, bell pepper, tomato, ginger, peppermint and spearmint oil, other Mentha oils,
vinegar, breads, many cheeses, butter, milk, egg, fatty and lean fish, meats, hop oil, beer, cognac, sherry, rum, grape wines,
cocoa, coffee, tea, filberts, peanuts, pecans, peanut butter, barley, oats, soybean, honey, avocado, mace, plum, beans, mushrooms, starfruit, mango, beetroot, cardamom, coriander seed, rice, lovage leaf, pumpkin, buckwheat, laurel, malt, clary sage,
wort, elderberry, clam, scallops, crab, crayfish, okra, sapodilla, truffles, kiwifruit and other sources. | [Uses]
In artificial flavors and perfumes. | [Uses]
Isovaleraldehyde is manufactured by oxidizing isoamyl alcohol with sodium
perchromate and sulfuric acid. Isovaleraldehyde is present in
essential oils of orange, peppermint, lemon, and other plants
and fruits. Its main uses are as an artificial flavor additive and
in perfumes. | [Definition]
ChEBI: A methylbutanal that is butanal substituted by a methyl group at position 3. It occurs as a volatile constituent in olives. | [Preparation]
By oxidation of isoamyl alcohol. | [Toxics Screening Level]
the ITSL can
be calculated from the equation in R232(1)(f) using the 4-hour LC-50 of 42.7 mg/Las follows:
ITSL = 800 μg/m3 with annual averaging. |
|
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